CID 12628602

5,7-dichlorothieno[3,2-b]pyridine

Structural Information

Molecular Formula
C7H3Cl2NS
SMILES
C1=CSC2=C1N=C(C=C2Cl)Cl
InChI
InChI=1S/C7H3Cl2NS/c8-4-3-6(9)10-5-1-2-11-7(4)5/h1-3H
InChIKey
GACWBJMFVQODCY-UHFFFAOYSA-N
Compound name
5,7-dichlorothieno[3,2-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

202.93633 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.94361 134.0
[M+Na]+ 225.92555 148.1
[M-H]- 201.92905 138.2
[M+NH4]+ 220.97015 157.3
[M+K]+ 241.89949 142.4
[M+H-H2O]+ 185.93359 130.4
[M+HCOO]- 247.93453 145.2
[M+CH3COO]- 261.95018 149.0
[M+Na-2H]- 223.91100 138.7
[M]+ 202.93578 140.6
[M]- 202.93688 140.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe